Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Repandusinic acid A
RN: 125516-10-1
InChIKey: WUTXIOAKRFKQHK-UHFFFAOYSA-N

Note

  • An HIV-1 reverse transcriptase inhibitor isolated from Phyllanthus niruri.

Molecular Formula

  • C41-H30-O28

Molecular Weight

  • 970.66
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Repandusinic acid A

Synonym

  • Repandusinic acid A

Systematic Name

  • beta-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 4-(4-hydrogen 2-(3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl)-2-butenedioate) 1-(3,4,5-trihydroxybenzoate), stereoisomer

Registry Numbers

CAS Registry Number

  • 125516-10-1

System Generated Number

  • 0125516101

Structure Descriptors

InChI

1S/C41H30O28/c42-13-1-8(2-14(43)24(13)49)36(59)69-41-31(56)34-32(66-40(63)12(6-19(47)48)23-22-11(5-17(46)27(52)30(22)55)38(61)67-33(23)35(57)58)18(65-41)7-64-37(60)9-3-15(44)25(50)28(53)20(9)21-10(39(62)68-34)4-16(45)26(51)29(21)54/h1-6,18,23,31-34,41-46,49-56H,7H2,(H,47,48)(H,57,58)

InChIKey

WUTXIOAKRFKQHK-UHFFFAOYSA-N

Smiles

C(\C(O[C@@H]1[C@@H]2OC(c3cc(c(c(c3c3c(C(OC[C@@H]1O[C@@H]([C@@H]2O)OC(=O)c1cc(c(c(c1)O)O)O)=O)cc(c(c3O)O)O)O)O)O)=O)=O)([C@@H]1c2c(C(=O)O[C@@H]1C(=O)O)cc(O)c(O)c2O)=C/C(=O)O